1-methylcyclodeca-1,2-diene

C11H18 — CID 57121646

IUPAC1-methylcyclodeca-1,2-diene
SMILESCC1=C=CCCCCCCC1
InChIInChI=1S/C11H18/c1-11-9-7-5-3-2-4-6-8-10-11/h7H,2-6,8,10H2,1H3
InChIKeyRBVHDBGSLMHBFR-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.83
Rot. Bonds

About 1-methylcyclodeca-1,2-diene

1-methylcyclodeca-1,2-diene (PubChem CID 57121646) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 1-methylcyclodeca-1,2-diene.

Molecular Properties

Compound Name1-methylcyclodeca-1,2-diene
PubChem CID57121646
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name1-methylcyclodeca-1,2-diene
SMILESCC1=C=CCCCCCCC1
InChIInChI=1S/C11H18/c1-11-9-7-5-3-2-4-6-8-10-11/h7H,2-6,8,10H2,1H3
InChIKeyRBVHDBGSLMHBFR-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methylcyclodeca-1,2-diene?
The IUPAC name of 1-methylcyclodeca-1,2-diene (CID 57121646) is 1-methylcyclodeca-1,2-diene.
What is the SMILES notation for 1-methylcyclodeca-1,2-diene?
The canonical SMILES for 1-methylcyclodeca-1,2-diene is CC1=C=CCCCCCCC1.
What is the InChIKey of 1-methylcyclodeca-1,2-diene?
The InChIKey is RBVHDBGSLMHBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-11-9-7-5-3-2-4-6-8-10-11/h7H,2-6,8,10H2,1H3.
What are the key properties of 1-methylcyclodeca-1,2-diene?
1-methylcyclodeca-1,2-diene has a molecular weight of 150.26 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclodeca-1,2-diene is sourced from PubChem (CID 57121646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).